4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-hexyl-butanamide

Systemtic Name: 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-hexyl-butanamide Openeye Name: 4-[1,4-dimethyl-5-(m-tolylmethyl)-6-oxo-pyrimidin-2-yl]sulfanyl-N-hexyl-butanamide CAS Name: 4-[[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxo-2-pyrimidinyl]thio]-N-hexylbutanamide IUPAC Name: 4-[1,4-dimethyl-5-[(3-methylphenyl)methyl]-6-oxopyrimidin-2-yl]sulfanyl-N-hexylbutanamide Traditional Name: N-hexyl-4-[[6-keto-1,4-dimethyl-5-(3-methylbenzyl)pyrimidin-2-yl]thio]butyramide Formula: C24H35N3O2S MolecularWeight: 429.6186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC(=C2)C)C

Isomeric SMILES

CCCCCCNC(=O)CCCSC1=NC(=C(C(=O)N1C)CC2=CC=CC(=C2)C)C

InChI

InChI=1S/C24H35N3O2S/c1-5-6-7-8-14-25-22(28)13-10-15-30-24-26-19(3)21(23(29)27(24)4)17-20-12-9-11-18(2)16-20/h9,11-12,16H,5-8,10,13-15,17H2,1-4H3,(H,25,28)